CHMFL-PI3KD-317 - ≥98% , CAS No.2244992-76-3

CAS: 2244992-76-3 Cat. No.: C1448908 PubChem CID: 137333450

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CHMFL-PI3KD-317 is a highly potent, selective and orally active PI3Kδ inhibitor, with an IC 50 of 6 nM, and exhibits over 10-1500 fold selectivity over other class I, II and III PIKK family isoforms, such as PI3Kα (IC 50 , 62.6 nM), PI3Kβ (IC 50 , 284 nM), PI3Kγ (IC 50 , 202.7 nM), PIK3C2A (IC 50 , >10000 nM), PIK3C2B (IC 50 , 882.3 nM), VPS34 (IC 50 , 1801.7 nM), PI4KIIIA (IC 50 , 574.1 nM) and PI4KIIIB (IC 50 , 300.2 nM). CHMFL-PI3KD-317 inhibits PI3Kδ-mediated Akt T308 phosphorylation in Raji cells, with an EC 50 of 4.3 nM. CHMFL-PI3KD-317 has antiproliferative effects on cancer cells.

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Canonical Smiles

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(N=CC(=C2)C3=C(N=C(S3)NC(=O)C(C(C)C)N)C)Cl

IUPAC Name

(2S)-2-amino-N-[5-[6-chloro-5-[(3-methylphenyl)sulfonylamino]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide

InChIKey

PIBKKQFQADCDAW-KRWDZBQOSA-N

INCHI

1S/C21H24ClN5O3S2/c1-11(2)17(23)20(28)26-21-25-13(4)18(31-21)14-9-16(19(22)24-10-14)27-32(29,30)15-7-5-6-12(3)8-15/h5-11,17,27H,23H2,1-4H3,(H,25,26,28)/t17-/m0/s1

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(N=CC(=C2)C3=C(N=C(S3)NC(=O)[C@H](C(C)C)N)C)Cl

PubChem CID

137333450

MeSH Entry Terms

(S)-2-amino-N-(5-(6-chloro-5-(3-methylphenylsulfonamido)pyridin-3-yl)-4-methylthiazol-2-yl)-3-methylbutanamide;CHMFL-PI3KD-317

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Valine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Valine and derivatives
• Alternative Parents: Alpha amino acid amides Benzenesulfonamides Benzenesulfonyl compounds N-arylamides 2,4,5-trisubstituted thiazoles Toluenes 2-halopyridines Organosulfonamides Fatty amides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Valine or derivatives - Alpha-amino acid amide - Benzenesulfonamide - Benzenesulfonyl group - N-arylamide - 2,4,5-trisubstituted 1,3-thiazole - 2-halopyridine - Toluene - Fatty acyl - Benzenoid - Organosulfonic acid amide - Pyridine - Fatty amide - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2244992-76-3. InChIKey PIBKKQFQADCDAW-KRWDZBQOSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.